Describing protein structure: A general algorithm yielding complete helicoidal parameters and a unique overall axis
- 1 January 1989
- journal article
- research article
- Published by Wiley in Proteins-Structure Function and Bioinformatics
- Vol. 6 (1), 46-60
- https://doi.org/10.1002/prot.340060105
Abstract
We present a general and mathematically rigorous algorithm which allows the helicoidal structure of a protein to be calculated starting from the atomic coordinated of its peptide backbone. This algorithm yields a unique curved axis which quantifies the folding of the backbone and a full set of helicoidal parameters describing the location of each peptide unit. The parameters obtained form a complete and independent set and can therefore be used for analyzing, comparing, or reconstructing protein backbone geometry. This algorithm has been implemented in a computer program named P-Curve. Several examples of its possible applications are discussed.Keywords
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